SCHEMBL31543713

SCHEMBL31543713

COc1ccc2[nH]c(C)c(CCNC(C)=O)c2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 16/20 1.00
MTNR1B P49286 16/20 1.00
NQO2 P16083 3/20 0.76
CYP1A2 P05177 2/20 0.76
CYP3A4 P08684 2/20 0.76
CYP2D6 P10635 2/20 0.76
CYP2C9 P11712 2/20 0.76
CYP2C19 P33261 2/20 0.76
TSHR P16473 1/20 0.76
KDM4E B2RXH2 2/20 0.74
ALDH1A1 P00352 2/20 0.74
HPGD P15428 2/20 0.74
HSD17B10 Q99714 2/20 0.74
POLB P06746 1/20 0.74
MDM2 Q00987 1/20 0.74
MEN1 O00255 1/20 0.67
MAPT P10636 1/20 0.67
HTT P42858 1/20 0.67
KMT2A Q03164 1/20 0.67
TDP1 Q9NUW8 1/20 0.67

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8946916 1.00 MTNR1A (1.00) MTNR1AMTNR1BNQO2CYP1A2CYP3A4
SCHEMBL18239837 0.88 MTNR1A (0.78) MTNR1AMTNR1BNQO2CYP1A2CYP3A4
SCHEMBL18222560 0.88 MTNR1A (0.78) MTNR1AMTNR1BNQO2CYP1A2CYP3A4
SCHEMBL5439854 0.88 MTNR1A (0.78) MTNR1AMTNR1BNQO2CYP1A2CYP3A4
SCHEMBL31530480 0.88 MTNR1A (0.78) MTNR1AMTNR1BNQO2CYP1A2CYP3A4
SCHEMBL31530479 0.88 MTNR1A (0.78) MTNR1AMTNR1BNQO2CYP1A2CYP3A4
SCHEMBL3227065 0.87 MTNR1A (0.77) MTNR1AMTNR1BNQO2CYP1A2CYP3A4
SCHEMBL3221458 0.86 KDM4E (0.84) MTNR1AMTNR1BNQO2CYP1A2CYP3A4
SCHEMBL1774151 0.86 NQO2 (1.00) MTNR1AMTNR1BNQO2CYP1A2CYP3A4
SCHEMBL1311849 0.86 MTNR1A (1.00) MTNR1AMTNR1BNQO2CYP1A2CYP3A4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025099444-A1 N-Acetylserotonin (NAS) Analogues Beckley Psytech Limited (GB) 2025-05-15 WO disclosed